Measurement of the Raman Spectrum of Liquid Water
- Knolls Atomic Power Laboratory (KAPL), Niskayuna, NY (United States)
Raman spectroscopy is used to evaluate the vibrational energy levels of water to provide a microscopic explanation for its macroscopic behavior. The observation of the molecular vibrational dynamics of liquid water as a function of its temperature and pressure is of specific interest to this study. To observe these microscopic motions, a sapphire Raman test cell, which has been designed and constructed for this purpose, is used with different operating environments. Raman spectral measurements have been taken from ambient conditions of standard temperature and pressure up to 400°C and 256 Bar; which is beyond the critical point of water. With this cell, the molecular vibrational energies of liquid water have been observed from 30 to 4000 cm-1. Post test computer deconvolution of the Raman bands have shown the separate motions of the water molecule for the temperature and pressures given above. These motions include the translational, vibrational, O-H bending, and O-H stretching vibrations. These vibrations have been correlated with environmental change to elucidate an understanding of the internal forces behind the macroscopic properties of water. Calculation of the hydrogen bond strength between water molecules has been performed using the van’t Hoff enthalpy relationship. This calculation gave a hydrogen bond strength of 2.521 kcal/mole, in agreement with previous studies. This research has provided, for the first time, the measurement and deconvolution of the full Raman spectrum of liquid water from 30 to 4000 cm-1 above 95°C. These findings support the theory of the splitting of the OH symmetric stretching vibration into four components in liquid water, and support the assignment of a Fermi resonance at 3050 cm-1 resulting from the partially hydrogen bonded OH bending vibration overtone and the filly hydrogen bonded OH stretching vibration.
- Research Organization:
- Knolls Atomic Power Laboratory (KAPL), Niskayuna, NY (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC12-76SN00052
- OSTI ID:
- 767069
- Report Number(s):
- KAPL-P-000226
- Country of Publication:
- United States
- Language:
- English
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